Geometry & MOs

Info

ID:	229962
PubChem CID:	87569666
Reduced:	NO2H13C14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	509.221366
ΔH_f, kcal/mol:	-17.39
Dipole, Da:	7.22
IP(EA), eV:	-8.89(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-[4-[3-[ethyl-(2-methoxyphenoxy)amino]-2-hydroxypropoxy]phenyl]-3-(4-fluoro-3-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CC1COC2=CC=C(C=C2)/C(=C/C3=CC=C(C=C3)/C=C/C(=O)NO)/C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations